SCHEMBL20109930

SCHEMBL20109930

CSN1CCC(CC(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20084193 0.88 OPRK1 (0.30) OPRK1
SCHEMBL25075136 0.83 ACHE (0.36) OPRK1
SCHEMBL23103611 0.80
SCHEMBL25075205 0.78 ACHE (0.42) OPRK1
SCHEMBL25089948 0.78
SCHEMBL22435969 0.75
SCHEMBL20097471 0.75
SCHEMBL8235125 0.74 NCF1 (0.44) OPRK1
SCHEMBL22020557 0.74 NCF1 (0.44) OPRK1
SCHEMBL23645702 0.74 NCF1 (0.44) OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP disclosed